Abstract
Experiments done on polydisperse particles of cadmium selenide have recently
shown that the particles form spherical isolated clusters
with low polydispersity of cluster size.
The computer simulation model of Xia et al. (Nat. Nanotechnol. 2011, 6, 580) explaining this behavior
used a short-range van der Waals attraction
combined with a variable long-range screened electrostatic repulsion,
depending linearly on the volume of the clusters.
In this paper,
we term this dependence "linear renormalization" of the repulsive term, and
we use advanced Monte Carlo simulations to
investigate the kinetically slowed down phase separation
in a similar but simpler model.
We show that amorphous drops do not dissolve and
crystallinity evolves very slowly under linear renormalization,
and we confirm that low polydispersity of cluster size can also be achieved using this model.
The results indicate that the linear renormalization generally leads to monodisperse clusters.
Original language | English |
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Journal | Journal of Chemical Theory and Computation |
Early online date | 3 Aug 2015 |
DOIs | |
Publication status | Published - 2015 |